scholarly journals One-dimensional nuclear dynamics in the time-dependent Hartree-Fock approximation

1976 ◽  
Vol 13 (3) ◽  
pp. 1226-1258 ◽  
Author(s):  
P. Bonche ◽  
S. Koonin ◽  
J. W. Negele
2021 ◽  
Vol 10 (4) ◽  
Author(s):  
Yuri Daniel van Nieuwkerk ◽  
Jörg Schmiedmayer ◽  
Fabian Essler

We consider the non-equilibrium dynamics of a weakly interacting Bose gas tightly confined to a highly elongated double well potential. We use a self-consistent time-dependent Hartree--Fock approximation in combination with a projection of the full three-dimensional theory to several coupled one-dimensional channels. This allows us to model the time-dependent splitting and phase imprinting of a gas initially confined to a single quasi one-dimensional potential well and obtain a microscopic description of the ensuing damped Josephson oscillations.


2002 ◽  
Vol 16 (03) ◽  
pp. 415-452 ◽  
Author(s):  
NILS ERIK DAHLEN

This review discusses the complicated two-electron dynamics of a helium atom in an intense, short laser pulse. A helium gas in femtosecond laser pulses at long wave lengths (λ~700 nm) and high intensities (I~1015 W /cm2) produces surprisingly high numbers of He2+ ions. These laser fields cause large and fast electron oscillations, which makes a solution of the time-dependent Schrödinger equation numerically demanding. The system can be studied using a one-dimensional model atom, which has many of the same properties as the He atom. Using the one-dimensional model, the importance of including electron correlation in a simplified description of the two-electron dynamics is demonstrated. It is shown that electron correlation becomes much less important if the laser field has a short wave length, in which case the electron oscillations are smaller and slower. The problem of including electron correlation in the calculations is discussed in terms of approaches such as time-dependent Hartree–Fock, time-dependent density functional theory and time-dependent extended Hartree–Fock. Some of the commonly used semi-classical models for describing the double-ionization process are presented.


2013 ◽  
Vol 22 (06) ◽  
pp. 1350040 ◽  
Author(s):  
G. PUDDU

We propose a Time-Dependent Multi-Determinant (TDMD) approach to the description of the time evolution of the nuclear wave functions. We use the Dirac variational principle to derive the equations of motion using as ansatz for the nuclear wave function a linear combination of Slater determinants. We prove explicitly that the norm and the energy of the wave function are conserved during the time evolution. This approach is a generalization of the time-dependent Hartree–Fock method to many Slater determinants. We apply this approach to a case study of 6 Li using the N3LO interaction renormalized to four major harmonic oscillator shells. We solve the TDMD equations of motion using Krylov subspace methods of Lanczos type. As an application, we discuss the isoscalar monopole strength function.


1999 ◽  
Vol 09 (07) ◽  
pp. 963-990 ◽  
Author(s):  
ERIC CANCÈS ◽  
CLAUDE LE BRIS

We prove a global-in-time existence and uniqueness result for the Cauchy problem in the setting of some model of Molecular Quantum Chemistry. The model we are concerned with consists of a coupling between the time-dependent Hartree–Fock equations (for the electrons) and the classical Newtonian dynamics (for the nuclei). The proof combines semigroup techniques and the Schauder fixed-point theorem. We also extend our result in order to treat the case of a molecule subjected to a time-dependent electric field.


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